4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

C11H12F3N3O2 — CID 64586623

IUPAC4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nccc(C(F)(F)F)n2)CC1C(=O)O
InChIInChI=1S/C11H12F3N3O2/c1-6-4-17(5-7(6)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyGFVKOFJKCRDOON-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.65
Rot. Bonds2

About 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid

4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (PubChem CID 64586623) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
PubChem CID64586623
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(c2nccc(C(F)(F)F)n2)CC1C(=O)O
InChIInChI=1S/C11H12F3N3O2/c1-6-4-17(5-7(6)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19)
InChIKeyGFVKOFJKCRDOON-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid (CID 64586623) is 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is CC1CN(c2nccc(C(F)(F)F)n2)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is GFVKOFJKCRDOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6-4-17(5-7(6)9(18)19)10-15-3-2-8(16-10)11(12,13)14/h2-3,6-7H,4-5H2,1H3,(H,18,19).
What are the key properties of 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64586623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).